1-(2,3-dihydro-1H-isoindol-5-yl)pyrrolidin-2-one;hydrochloride

C12H15ClN2O — CID 68824082

IUPAC1-(2,3-dihydro-1H-isoindol-5-yl)pyrrolidin-2-one;hydrochloride
SMILESCl.O=C1CCCN1c1ccc2c(c1)CNC2
InChIInChI=1S/C12H14N2O.ClH/c15-12-2-1-5-14(12)11-4-3-9-7-13-8-10(9)6-11;/h3-4,6,13H,1-2,5,7-8H2;1H
InChIKeyQRRDJXUTFJIWQT-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.84
Rot. Bonds1

About 1-(2,3-dihydro-1H-isoindol-5-yl)pyrrolidin-2-one;hydrochloride

1-(2,3-dihydro-1H-isoindol-5-yl)pyrrolidin-2-one;hydrochloride (PubChem CID 68824082) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-isoindol-5-yl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-isoindol-5-yl)pyrrolidin-2-one;hydrochloride
PubChem CID68824082
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name1-(2,3-dihydro-1H-isoindol-5-yl)pyrrolidin-2-one;hydrochloride
SMILESCl.O=C1CCCN1c1ccc2c(c1)CNC2
InChIInChI=1S/C12H14N2O.ClH/c15-12-2-1-5-14(12)11-4-3-9-7-13-8-10(9)6-11;/h3-4,6,13H,1-2,5,7-8H2;1H
InChIKeyQRRDJXUTFJIWQT-UHFFFAOYSA-N
XLogP1.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-(3-iodo-4-methylphenyl)pyrrolidin-2-one
CID 70646399
1-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyrrolidin-2-one
CID 105358356
1-(4-piperazin-1-ylphenyl)pyrrolidin-2-one
CID 82513628
1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-diazinane-2,4-dione;hydrochloride
CID 168870506
2-fluoro-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 120881603
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 736761
1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one
CID 142760205
1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 70195701
2-hydroxy-4-(2-oxopyrrolidin-1-yl)benzoic acid
CID 5210283
tert-butyl 6-(2-oxopyrrolidin-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 143307369

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-yl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-yl)pyrrolidin-2-one;hydrochloride (CID 68824082) is 1-(2,3-dihydro-1H-isoindol-5-yl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-(2,3-dihydro-1H-isoindol-5-yl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-(2,3-dihydro-1H-isoindol-5-yl)pyrrolidin-2-one;hydrochloride is Cl.O=C1CCCN1c1ccc2c(c1)CNC2.
What is the InChIKey of 1-(2,3-dihydro-1H-isoindol-5-yl)pyrrolidin-2-one;hydrochloride?
The InChIKey is QRRDJXUTFJIWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.ClH/c15-12-2-1-5-14(12)11-4-3-9-7-13-8-10(9)6-11;/h3-4,6,13H,1-2,5,7-8H2;1H.
What are the key properties of 1-(2,3-dihydro-1H-isoindol-5-yl)pyrrolidin-2-one;hydrochloride?
1-(2,3-dihydro-1H-isoindol-5-yl)pyrrolidin-2-one;hydrochloride has a molecular weight of 238.72 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-isoindol-5-yl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 68824082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).